Geometry & MOs

Info

ID:	198599
PubChem CID:	79122805
Reduced:	ON3C16H33 (1)
Stoich.:	AB3C16D33 (1)
Weight, g/mol:	242.18167
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	4.73
IP(EA), eV:	-8.45(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-dimethyl-4-N-(thian-4-yl)cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CCCNC1CCC(CC1)N(C)CCCC(=O)N(C)C

DOS

IR

Vibrations